(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

C26H27F3N2O2 — CID 69043257

IUPAC(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C26H27F3N2O2/c1-30-25(32)24(19-7-4-3-5-8-19)31-16-15-23(20-9-6-10-22(17-20)33-2)18-11-13-21(14-12-18)26(27,28)29/h3-14,17,23-24,31H,15-16H2,1-2H3,(H,30,32)/t23-,24-/m1/s1
InChIKeyQJSHZGOHVIKAMK-DNQXCXABSA-N
MW456.51 g/mol
LogP5.31
Rot. Bonds9

About (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69043257) has the molecular formula C26H27F3N2O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID69043257
Molecular FormulaC26H27F3N2O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C26H27F3N2O2/c1-30-25(32)24(19-7-4-3-5-8-19)31-16-15-23(20-9-6-10-22(17-20)33-2)18-11-13-21(14-12-18)26(27,28)29/h3-14,17,23-24,31H,15-16H2,1-2H3,(H,30,32)/t23-,24-/m1/s1
InChIKeyQJSHZGOHVIKAMK-DNQXCXABSA-N
XLogP5.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-[[(3S)-3-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetamide;hydrochloride
CID 69041206
(2R)-2-[[(3R)-3-(3-chloro-4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042344
(2R)-2-[[(3S)-3-(3,4-diethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69046035
(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69041447
(2R)-2-[[(3S)-3-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69045330
(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69042231
(2R)-2-[[(3S)-3-(2-fluoro-5-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69040515
(2R)-2-[[(3S)-3-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69043403
(2R)-2-[[(3S)-3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69041237
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
(2R)-2-[[(1S)-1-(4-methoxy-3-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 69043257) is (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is QJSHZGOHVIKAMK-DNQXCXABSA-N. The full InChI is InChI=1S/C26H27F3N2O2/c1-30-25(32)24(19-7-4-3-5-8-19)31-16-15-23(20-9-6-10-22(17-20)33-2)18-11-13-21(14-12-18)26(27,28)29/h3-14,17,23-24,31H,15-16H2,1-2H3,(H,30,32)/t23-,24-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?
(2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 456.51 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-(3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69043257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).